Python package for generating Markov state models
☆17Jun 11, 2026Updated 3 months ago
Alternatives and similar repositories for MasterMSM
Users that are interested in MasterMSM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tools for estimating and analyzing Markov state models☆41Aug 15, 2022Updated 4 years ago
- A software package to identify and locate knots in polymers☆14Nov 20, 2022Updated 3 years ago
- PyRod - Tracing water molecules in molecular dynamics simulations☆60Oct 31, 2025Updated 10 months ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- A Python module for reading, writing, and manipulating NMR-STAR files.☆30Sep 10, 2026Updated last week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- A molecule viewer with cavity computation☆17Jul 29, 2026Updated last month
- BoFiN HEOM Python version.☆17Aug 28, 2023Updated 3 years ago
- Chemical perception tree automated exploration tool.☆20Aug 14, 2018Updated 8 years ago
- Code I have written for course: Statistical Mechanics and Computations☆29Sep 1, 2025Updated last year
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- ☆10Jun 9, 2026Updated 3 months ago
- python model-fitting framework and GUI tool☆18Jul 20, 2015Updated 11 years ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆13Dec 1, 2025Updated 9 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Modeling molecular ensembles with scalable data structures and parallel computing☆37Mar 11, 2026Updated 6 months ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Aug 1, 2026Updated last month
- Docking benchmark 5 - cleaned and ready to use for HADDOCK☆14Apr 13, 2026Updated 5 months ago
- A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.☆12Apr 17, 2020Updated 6 years ago
- Cmake files to compile project for msp launchpad☆13Jun 16, 2016Updated 10 years ago
- A tutorial on simulating quantum circuits and quantum error correction with tensor networks☆22Jul 21, 2026Updated last month
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 8 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Building MD simulations for polymer electrolyte system☆15Oct 6, 2025Updated 11 months ago
- ☆29Sep 30, 2022Updated 3 years ago
- gnuplot code for the single blog entries☆14Jun 26, 2017Updated 9 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆12Apr 11, 2021Updated 5 years ago
- Markov State Models on the Muller potential: a MSMBuilder Tutorial☆12Mar 18, 2013Updated 13 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 8 years ago
- ☆10Dec 4, 2021Updated 4 years ago
- ☆10Feb 18, 2020Updated 6 years ago
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆35May 27, 2026Updated 3 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Helper function for Markov State Models☆11Jun 25, 2024Updated 2 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 6 years ago
- RNA Multiple Sequence Alignment☆53Jul 20, 2023Updated 3 years ago
- ☆14Oct 9, 2020Updated 5 years ago
- A software research tool for the analysis of structural communication in protein ensembles☆14Mar 24, 2022Updated 4 years ago
- Coarse-graining potentials from atomistic references made easy☆26Sep 27, 2021Updated 4 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago